Machine Learning for High-entropy Alloys: Progress, Challenges and Opportunities

High-entropy alloys (HEAs) have attracted extensive interest due to their exceptional mechanical properties and the vast compositional space for new HEAs. However, understanding their novel physical mechanisms and then using these mechanisms to design new HEAs are confronted with their high-dimensional chemical complexity, which presents unique challenges to (i) the theoretical modeling that needs accurate atomic interactions for atomistic simulations and (ii) constructing reliable macro-scale models for high-throughput screening of vast amounts of candidate alloys. Machine learning (ML) sheds light on these problems with its capability to represent extremely complex relations. This review highlights the success and promising future of utilizing ML to overcome these challenges. We first introduce the basics of ML algorithms and application scenarios. We then summarize the state-of-the-art ML models describing atomic interactions and atomistic simulations of thermodynamic and mechanical properties. Special attention is paid to phase predictions, planar-defect calculations, and plastic deformation simulations. Next, we review ML models for macro-scale properties, such as lattice structures, phase formations, and mechanical properties. Examples of machine-learned phase-formation rules and order parameters are used to illustrate the workflow. Finally, we discuss the remaining challenges and present an outlook of research directions, including uncertainty quantification and ML-guided inverse materials design.Comment: This review paper has been accepted by Progress in Materials Scienc

Do LLMs Understand Social Knowledge? Evaluating the Sociability of Large Language Models with SocKET Benchmark

Large language models (LLMs) have been shown to perform well at a variety of syntactic, discourse, and reasoning tasks. While LLMs are increasingly deployed in many forms including conversational agents that interact with humans, we lack a grounded benchmark to measure how well LLMs understand \textit{social} language. Here, we introduce a new theory-driven benchmark, SocKET, that contains 58 NLP tasks testing social knowledge which we group into five categories: humor & sarcasm, offensiveness, sentiment & emotion, and trustworthiness. In tests on the benchmark, we demonstrate that current models attain only moderate performance but reveal significant potential for task transfer among different types and categories of tasks, which were predicted from theory. Through zero-shot evaluations, we show that pretrained models already possess some innate but limited capabilities of social language understanding and training on one category of tasks can improve zero-shot testing on others. Our benchmark provides a systematic way to analyze model performance on an important dimension of language and points to clear room for improvement to build more socially-aware LLMs. The associated resources are released at https://github.com/minjechoi/SOCKET.Comment: 24 pages, 7 tables, 5 figure

Unveiling the Implicit Toxicity in Large Language Models

The open-endedness of large language models (LLMs) combined with their impressive capabilities may lead to new safety issues when being exploited for malicious use. While recent studies primarily focus on probing toxic outputs that can be easily detected with existing toxicity classifiers, we show that LLMs can generate diverse implicit toxic outputs that are exceptionally difficult to detect via simply zero-shot prompting. Moreover, we propose a reinforcement learning (RL) based attacking method to further induce the implicit toxicity in LLMs. Specifically, we optimize the language model with a reward that prefers implicit toxic outputs to explicit toxic and non-toxic ones. Experiments on five widely-adopted toxicity classifiers demonstrate that the attack success rate can be significantly improved through RL fine-tuning. For instance, the RL-finetuned LLaMA-13B model achieves an attack success rate of 90.04% on BAD and 62.85% on Davinci003. Our findings suggest that LLMs pose a significant threat in generating undetectable implicit toxic outputs. We further show that fine-tuning toxicity classifiers on the annotated examples from our attacking method can effectively enhance their ability to detect LLM-generated implicit toxic language. The code is publicly available at https://github.com/thu-coai/Implicit-Toxicity.Comment: EMNLP 2023 Main Conferenc

POTATO: The Portable Text Annotation Tool

We present POTATO, the Portable text annotation tool, a free, fully open-sourced annotation system that 1) supports labeling many types of text and multimodal data; 2) offers easy-to-configure features to maximize the productivity of both deployers and annotators (convenient templates for common ML/NLP tasks, active learning, keypress shortcuts, keyword highlights, tooltips); and 3) supports a high degree of customization (editable UI, inserting pre-screening questions, attention and qualification tests). Experiments over two annotation tasks suggest that POTATO improves labeling speed through its specially-designed productivity features, especially for long documents and complex tasks. POTATO is available at https://github.com/davidjurgens/potato and will continue to be updated.Comment: EMNLP 2022 DEM

SuperTweetEval: A Challenging, Unified and Heterogeneous Benchmark for Social Media NLP Research

Despite its relevance, the maturity of NLP for social media pales in comparison with general-purpose models, metrics and benchmarks. This fragmented landscape makes it hard for the community to know, for instance, given a task, which is the best performing model and how it compares with others. To alleviate this issue, we introduce a unified benchmark for NLP evaluation in social media, SuperTweetEval, which includes a heterogeneous set of tasks and datasets combined, adapted and constructed from scratch. We benchmarked the performance of a wide range of models on SuperTweetEval and our results suggest that, despite the recent advances in language modelling, social media remains challenging.Comment: EMNLP 2023 Finding